SCHEMBL7308967

SCHEMBL7308967

O=C1CCC(c2ccc(N3C[C@@H](CO)OC3=O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
F10 P00742 1/20 0.48
CALML3 P27482 6/20 0.47
ESR2 Q92731 2/20 0.45
GRM2 Q14416 5/20 0.44
SIGMAR1 Q99720 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7308961 1.00 MAOA (0.51) MAOAMAOBF10CALML3ESR2
SCHEMBL7307238 0.88 F10 (0.60) MAOAMAOBF10CALML3GRM2
SCHEMBL5618573 0.88 F10 (0.60) MAOAMAOBF10CALML3GRM2
SCHEMBL5618569 0.88 F10 (0.60) MAOAMAOBF10CALML3GRM2
SCHEMBL5618256 0.84 GRM2 (0.48) MAOAF10GRM2SIGMAR1
SCHEMBL5617534 0.84 GRM2 (0.48) MAOAF10GRM2SIGMAR1
SCHEMBL5617531 0.84 GRM2 (0.48) MAOAF10GRM2SIGMAR1
SCHEMBL3578748 0.82 MAOA (0.54) MAOAMAOBF10CALML3GRM2
SCHEMBL3578746 0.82 MAOA (0.54) MAOAMAOBF10CALML3GRM2
SCHEMBL9549439 0.79 GRM2 (0.64) MAOAMAOBF10CALML3GRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574055-A COGNITIVE AND NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
EP-0657440-A1 Oxazolidine-2-one derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 EP disclosed